The CP2K project : input section INTERPOLATOR

Section INTERPOLATOR

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%PROPERTIES%LINRES%SPINSPIN%INTERPOLATOR.

kind of interpolation used between the multigrids. This section can not be repeated and can be optional.

Subsections

Section keywords

Keyword descriptions

KIND
kind spline3
the interpolator to use
This optional keyword expects a keyword. Default value: PW
valid keywords: PW, SPLINE3_NOPBC, SPLINE3
SAFE_COMPUTATION
safe_computation OFF
if a non unrolled calculation is to be performed in parallel
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
AINT_PRECOND
aint_precond copy
the approximate inverse to use to get the starting point for the linear solver of the spline3 methods
This optional keyword expects a keyword. Default value: SPL3_NOPBC_AINT1
valid keywords: COPY, SPL3_NOPBC_AINT1, SPL3_NOPBC_AINT2, SPL3_NOPBC_PRECOND1, SPL3_NOPBC_PRECOND2, SPL3_NOPBC_PRECOND3
PRECOND
PRECOND copy
The preconditioner used for the linear solver of the spline3 methods
This optional keyword expects a keyword. Default value: SPL3_NOPBC_PRECOND3
valid keywords: COPY, SPL3_NOPBC_AINT1, SPL3_NOPBC_AINT2, SPL3_NOPBC_PRECOND1, SPL3_NOPBC_PRECOND2, SPL3_NOPBC_PRECOND3
EPS_X
eps_x 1.e-15
accuracy on the solution for spline3 the interpolators
This optional keyword expects a real. Default value: 1.0000000000000000E-10
EPS_R
eps_r 1.e-15
accuracy on the residual for spline3 the interpolators
This optional keyword expects a real. Default value: 1.0000000000000000E-10
MAX_ITER
max_iter 200
the maximum number of iterations
This optional keyword expects an integer. Default value: 100
variants: MAXITER


Back to the CP2K homepage or the latest version of this manual